N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-nitro-benzamide

Systemtic Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-nitro-benzamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O3/c1-20(2,3)17-12-18(24(23-17)15-10-6-14(21)7-11-15)22-19(26)13-4-8-16(9-5-13)25(27)28/h4-12H,1-3H3,(H,22,26)